# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 19:37:35 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SGR145_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SGR145_R3Cons_em_bcr3.pdb.iupac # Summary for c6-cycle7.peaks Total simulated peaks: 78 Number of peaks NOT matched in the Peak List: 14 M score = 0.18 Average shift in HX: 0.00024 Average ab-shift in HX: 0.0043(Assignment used: 62) Average shift in X: 0.005 Average ab-shift in X: 0.061(Assignment used: 62) Average shift in HX2: 0.0078 Average ab-shift in HX2: 0.012(Assignment used: 39) #For peaklist c6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.205(171/833) Model 1 Inconsistent score: 0.192(160/833) Model 2 Inconsistent score: 0.202(168/833) Model 3 Inconsistent score: 0.202(168/833) Model 4 Inconsistent score: 0.202(168/833) Model 5 Inconsistent score: 0.204(170/833) Model 6 Inconsistent score: 0.199(166/833) Model 7 Inconsistent score: 0.2(167/833) Model 8 Inconsistent score: 0.196(163/833) Model 9 Inconsistent score: 0.2(167/833) Model 10 Inconsistent score: 0.198(165/833) Model 11 Inconsistent score: 0.197(164/833) Model 12 Inconsistent score: 0.19(158/833) Model 13 Inconsistent score: 0.203(169/833) Model 14 Inconsistent score: 0.199(166/833) Model 15 Inconsistent score: 0.193(161/833) Model 16 Inconsistent score: 0.202(168/833) Model 17 Inconsistent score: 0.198(165/833) Model 18 Inconsistent score: 0.192(160/833) Model 19 Inconsistent score: 0.206(172/833) Model 20 Inconsistent score: 0.205(171/833) Model ave Missing interactions: 0.168 (72/428) weighted: 0.0706 (6.66e+04/9.43e+05) <3: 0 (0/16) <3w: 0 (0/2.75e+05) Model 1 Missing interactions: 0.172 (74/429) weighted: 0.0783 (8.37e+04/1.07e+06) <3: 0 (0/16) <3w: 0 (0/2.78e+05) Model 2 Missing interactions: 0.183 (79/431) weighted: 0.105 (1.13e+05/1.07e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 3 Missing interactions: 0.18 (76/423) weighted: 0.0821 (8.95e+04/1.09e+06) <3: 0 (0/16) <3w: 0 (0/2.88e+05) Model 4 Missing interactions: 0.18 (77/428) weighted: 0.0728 (7.25e+04/9.95e+05) <3: 0 (0/16) <3w: 0 (0/2.7e+05) Model 5 Missing interactions: 0.182 (78/429) weighted: 0.0645 (6.55e+04/1.01e+06) <3: 0 (0/16) <3w: 0 (0/2.88e+05) Model 6 Missing interactions: 0.183 (79/432) weighted: 0.0812 (8.36e+04/1.03e+06) <3: 0 (0/16) <3w: 0 (0/2.71e+05) Model 7 Missing interactions: 0.184 (79/429) weighted: 0.0882 (9.32e+04/1.06e+06) <3: 0 (0/16) <3w: 0 (0/2.85e+05) Model 8 Missing interactions: 0.175 (76/435) weighted: 0.0992 (1.02e+05/1.03e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 9 Missing interactions: 0.18 (78/433) weighted: 0.0864 (9.36e+04/1.08e+06) <3: 0 (0/16) <3w: 0 (0/2.75e+05) Model 10 Missing interactions: 0.183 (79/431) weighted: 0.0923 (9.92e+04/1.07e+06) <3: 0 (0/16) <3w: 0 (0/2.76e+05) Model 11 Missing interactions: 0.162 (70/433) weighted: 0.066 (7.1e+04/1.08e+06) <3: 0 (0/16) <3w: 0 (0/2.82e+05) Model 12 Missing interactions: 0.183 (80/437) weighted: 0.0784 (8.59e+04/1.1e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 13 Missing interactions: 0.192 (82/428) weighted: 0.103 (1.06e+05/1.03e+06) <3: 0 (0/16) <3w: 0 (0/2.73e+05) Model 14 Missing interactions: 0.173 (73/422) weighted: 0.0935 (9.78e+04/1.05e+06) <3: 0 (0/16) <3w: 0 (0/2.79e+05) Model 15 Missing interactions: 0.182 (79/433) weighted: 0.0682 (7.09e+04/1.04e+06) <3: 0 (0/16) <3w: 0 (0/2.9e+05) Model 16 Missing interactions: 0.183 (78/427) weighted: 0.0698 (7e+04/1e+06) <3: 0 (0/16) <3w: 0 (0/2.77e+05) Model 17 Missing interactions: 0.18 (78/433) weighted: 0.0665 (6.93e+04/1.04e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 18 Missing interactions: 0.163 (70/430) weighted: 0.11 (1.25e+05/1.14e+06) <3: 0 (0/16) <3w: 0 (0/2.74e+05) Model 19 Missing interactions: 0.182 (78/428) weighted: 0.0761 (7.57e+04/9.94e+05) <3: 0 (0/16) <3w: 0 (0/2.71e+05) Model 20 Missing interactions: 0.191 (82/429) weighted: 0.0907 (9.82e+04/1.08e+06) <3: 0 (0/16) <3w: 0 (0/2.77e+05) Model ave Recall: 0.795 Precision: all: 0.832 allw: 0.929 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.813 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.808 Precision: all: 0.828 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.861 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.798 Precision: all: 0.817 allw: 0.895 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.798 Precision: all: 0.82 allw: 0.918 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.854 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.798 Precision: all: 0.82 allw: 0.927 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.796 Precision: all: 0.818 allw: 0.935 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.801 Precision: all: 0.817 allw: 0.919 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.8 Precision: all: 0.816 allw: 0.912 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.808 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.804 Precision: all: 0.825 allw: 0.901 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.8 Precision: all: 0.82 allw: 0.914 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.81 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.802 Precision: all: 0.817 allw: 0.908 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.803 Precision: all: 0.838 allw: 0.934 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.81 Precision: all: 0.817 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.797 Precision: all: 0.808 allw: 0.897 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.803 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.801 Precision: all: 0.827 allw: 0.907 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.807 Precision: all: 0.818 allw: 0.932 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.812 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.798 Precision: all: 0.817 allw: 0.93 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.808 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.802 Precision: all: 0.82 allw: 0.934 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.863 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.808 Precision: all: 0.837 allw: 0.89 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.794 Precision: all: 0.818 allw: 0.924 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.854 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.795 Precision: all: 0.809 allw: 0.909 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.766(638/833) Model ave Missing interactions: 0.0635 (4/63) weighted: 0.00925 (303/3.28e+04) <3: 0 (0/16) <3w: 0 (0/2.92e+04) Recall: 0.234 Precision: all: 0.937 allw: 0.991 F-measure:(RecallFree,PrecisionFree) 0.375 F-measure:(ReallFree,PrecisionFreeW) 0.379 # Summary for n6-cycle7.peaks Total simulated peaks: 75 Number of peaks NOT matched in the Peak List: 8 M score = 0.11 Average shift in HX: 0.0061 Average ab-shift in HX: 0.0063(Assignment used: 27) Average shift in X: 0.045 Average ab-shift in X: 0.051(Assignment used: 27) Average shift in HX2: -9.1e-12 Average ab-shift in HX2: 0.0064(Assignment used: 51) #For peaklist n6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.341(486/1424) Model 1 Inconsistent score: 0.338(482/1424) Model 2 Inconsistent score: 0.338(481/1424) Model 3 Inconsistent score: 0.339(483/1424) Model 4 Inconsistent score: 0.339(483/1424) Model 5 Inconsistent score: 0.339(483/1424) Model 6 Inconsistent score: 0.341(485/1424) Model 7 Inconsistent score: 0.343(488/1424) Model 8 Inconsistent score: 0.335(477/1424) Model 9 Inconsistent score: 0.333(474/1424) Model 10 Inconsistent score: 0.341(486/1424) Model 11 Inconsistent score: 0.335(477/1424) Model 12 Inconsistent score: 0.334(475/1424) Model 13 Inconsistent score: 0.345(491/1424) Model 14 Inconsistent score: 0.346(493/1424) Model 15 Inconsistent score: 0.334(475/1424) Model 16 Inconsistent score: 0.338(482/1424) Model 17 Inconsistent score: 0.334(475/1424) Model 18 Inconsistent score: 0.339(483/1424) Model 19 Inconsistent score: 0.348(495/1424) Model 20 Inconsistent score: 0.34(484/1424) Model ave Missing interactions: 0.145 (99/682) weighted: 0.0329 (3.72e+04/1.13e+06) <3: 0 (0/10) <3w: 0 (0/9.91e+04) Model 1 Missing interactions: 0.151 (104/689) weighted: 0.0389 (5.12e+04/1.31e+06) <3: 0 (0/10) <3w: 0 (0/1.02e+05) Model 2 Missing interactions: 0.163 (115/705) weighted: 0.0356 (4.34e+04/1.22e+06) <3: 0 (0/10) <3w: 0 (0/9.6e+04) Model 3 Missing interactions: 0.151 (105/697) weighted: 0.0341 (4.47e+04/1.31e+06) <3: 0 (0/10) <3w: 0 (0/1.12e+05) Model 4 Missing interactions: 0.159 (111/696) weighted: 0.0345 (4.16e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/9.35e+04) Model 5 Missing interactions: 0.164 (114/697) weighted: 0.0335 (4.17e+04/1.24e+06) <3: 0 (0/10) <3w: 0 (0/1.12e+05) Model 6 Missing interactions: 0.147 (102/694) weighted: 0.032 (3.88e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/9.42e+04) Model 7 Missing interactions: 0.163 (114/699) weighted: 0.0271 (3.61e+04/1.33e+06) <3: 0 (0/10) <3w: 0 (0/1.08e+05) Model 8 Missing interactions: 0.154 (109/707) weighted: 0.0317 (3.84e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/9.55e+04) Model 9 Missing interactions: 0.153 (107/701) weighted: 0.08 (1e+05/1.25e+06) <3: 0 (0/10) <3w: 0 (0/9.82e+04) Model 10 Missing interactions: 0.164 (113/689) weighted: 0.0327 (3.96e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/9.98e+04) Model 11 Missing interactions: 0.151 (104/687) weighted: 0.0356 (4.56e+04/1.28e+06) <3: 0 (0/10) <3w: 0 (0/1.06e+05) Model 12 Missing interactions: 0.165 (117/707) weighted: 0.0383 (5e+04/1.31e+06) <3: 0 (0/10) <3w: 0 (0/9.59e+04) Model 13 Missing interactions: 0.156 (106/678) weighted: 0.0323 (3.78e+04/1.17e+06) <3: 0 (0/10) <3w: 0 (0/9.62e+04) Model 14 Missing interactions: 0.132 (88/668) weighted: 0.0299 (3.67e+04/1.23e+06) <3: 0 (0/10) <3w: 0 (0/1.03e+05) Model 15 Missing interactions: 0.158 (111/703) weighted: 0.0312 (3.95e+04/1.27e+06) <3: 0 (0/10) <3w: 0 (0/1.14e+05) Model 16 Missing interactions: 0.157 (108/689) weighted: 0.0287 (3.63e+04/1.26e+06) <3: 0 (0/10) <3w: 0 (0/1.01e+05) Model 17 Missing interactions: 0.162 (114/705) weighted: 0.0321 (3.99e+04/1.24e+06) <3: 0 (0/10) <3w: 0 (0/9.6e+04) Model 18 Missing interactions: 0.15 (103/688) weighted: 0.0458 (5.94e+04/1.3e+06) <3: 0 (0/10) <3w: 0 (0/9.76e+04) Model 19 Missing interactions: 0.165 (113/686) weighted: 0.0369 (4.47e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/9.48e+04) Model 20 Missing interactions: 0.169 (116/687) weighted: 0.0369 (4.53e+04/1.23e+06) <3: 0 (0/10) <3w: 0 (0/1e+05) Model ave Recall: 0.659 Precision: all: 0.855 allw: 0.967 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.662 Precision: all: 0.849 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.662 Precision: all: 0.837 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.661 Precision: all: 0.849 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.743 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.661 Precision: all: 0.841 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.74 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.661 Precision: all: 0.836 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.659 Precision: all: 0.853 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.657 Precision: all: 0.837 allw: 0.973 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.665 Precision: all: 0.846 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.745 F-measure:(Recall,PrecisionW) 0.789 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.667 Precision: all: 0.847 allw: 0.92 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.747 F-measure:(Recall,PrecisionW) 0.773 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.659 Precision: all: 0.836 allw: 0.967 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.665 Precision: all: 0.849 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.746 F-measure:(Recall,PrecisionW) 0.787 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.666 Precision: all: 0.835 allw: 0.962 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.741 F-measure:(Recall,PrecisionW) 0.787 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.655 Precision: all: 0.844 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.654 Precision: all: 0.868 allw: 0.97 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.746 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.666 Precision: all: 0.842 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.79 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.662 Precision: all: 0.843 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.741 F-measure:(Recall,PrecisionW) 0.787 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.666 Precision: all: 0.838 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.743 F-measure:(Recall,PrecisionW) 0.789 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.661 Precision: all: 0.85 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.652 Precision: all: 0.835 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.66 Precision: all: 0.831 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.746(1063/1424) Model ave Missing interactions: 0.0822 (18/219) weighted: 0.0893 (4.57e+03/5.12e+04) <3: 0 (0/10) <3w: 0 (0/1.43e+03) Recall: 0.254 Precision: all: 0.918 allw: 0.911 F-measure:(RecallFree,PrecisionFree) 0.397 F-measure:(ReallFree,PrecisionFreeW) 0.397 Final M-score 0.144 22/153 Model ave Final Recall-score for input query structures: 0.709 Final Precision-score for input query structures: 0.95 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.812 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.691 Model 1 Final Recall-score for input query structures: 0.716 Final Precision-score for input query structures: 0.943 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.814 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.695 Model 2 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.932 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.808 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.685 Model 3 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.944 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.812 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.691 Model 4 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.948 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.813 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.693 Model 5 Final Recall-score for input query structures: 0.711 Final Precision-score for input query structures: 0.953 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.814 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.695 Model 6 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.812 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.691 Model 7 Final Recall-score for input query structures: 0.71 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.811 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.69 Model 8 Final Recall-score for input query structures: 0.716 Final Precision-score for input query structures: 0.937 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.812 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.691 Model 9 Final Recall-score for input query structures: 0.716 Final Precision-score for input query structures: 0.917 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Model 10 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.939 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.81 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.688 Model 11 Final Recall-score for input query structures: 0.716 Final Precision-score for input query structures: 0.951 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.817 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.7 Model 12 Final Recall-score for input query structures: 0.72 Final Precision-score for input query structures: 0.943 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.816 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.698 Model 13 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.935 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.805 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.68 Model 14 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.941 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.808 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.685 Model 15 Final Recall-score for input query structures: 0.718 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.819 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.703 Model 16 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.953 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.815 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.696 Model 17 Final Recall-score for input query structures: 0.716 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.818 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.701 Model 18 Final Recall-score for input query structures: 0.715 Final Precision-score for input query structures: 0.924 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.806 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.681 Model 19 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.807 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.683 Model 20 Final Recall-score for input query structures: 0.71 Final Precision-score for input query structures: 0.938 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.808 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.685 Statistics: =========== NOESY_Assign: User CPU Time: 20.6 sec. Syst CPU Time: 0.35 sec. Other Processes: User CPU Time: 0.57 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 21.6 sec.